| SpectraBase Compound ID | 6OoWj9u1IyK |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-3-4-5-12(13)15-11-8-6-10(14-2)7-9-11/h6-9H,3-5H2,1-2H3 |
| InChIKey | ZPDRGYSTSKWYID-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KpPuXBYqz39 |
|---|---|
| Name | Valeric acid, 4-methoxyphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-3-4-5-12(13)15-11-8-6-10(14-2)7-9-11/h6-9H,3-5H2,1-2H3 |
| InChIKey | ZPDRGYSTSKWYID-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | CCCCC(OC1=CC=C(OC)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906919 |